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We derive electronic structure models for weakly interacting bilayers such as graphene-graphene and graphene-hexagonal boron nitride, based on density functional theory calculations followed by Wannier transformation of electronic states.…

Mesoscale and Nanoscale Physics · Physics 2016-06-28 Shiang Fang , Efthimios Kaxiras

Modulation of electronic states in two-dimensional (2D) materials can be achieved by using in-plane variations of the band gap or the average potential in lateral quantum structures. In the atomic configurations with hexagonal symmetry,…

Mesoscale and Nanoscale Physics · Physics 2016-08-10 Feng-Wu Chen , Mei-Yin Chou , Yiing-Rei Chen , Yu-Shu Wu

Predicting the shape of grain boundaries is essential to control results of the growth of large graphene crystals. A global energy minimum search predicting the most stable final structure contradicts experimental observations. Here we…

Materials Science · Physics 2014-12-16 Ksenia V. Bets , Vasilii I. Artyukhov , Boris I. Yakobson

We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…

Mesoscale and Nanoscale Physics · Physics 2010-09-29 Shengjun Yuan , Hans De Raedt , Mikhail I. Katsnelson

A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…

Mesoscale and Nanoscale Physics · Physics 2013-07-17 Young I. Jhon , Myung S. Jhon

A graphene antidot lattice, created by a regular perforation of a graphene sheet, can exhibit a considerable band gap required by many electronics devices. However, deviations from perfect periodicity are always present in real experimental…

Mesoscale and Nanoscale Physics · Physics 2015-04-01 Zheyong Fan , Andreas Uppstu , Ari Harju

Numerical calculations have been performed to elucidate unconventional electronic transport properties in disordered nanographene ribbons with zigzag edges (zigzag ribbons). The energy band structure of zigzag ribbons has two valleys that…

Mesoscale and Nanoscale Physics · Physics 2009-01-07 Katsunori Wakabayashi , Yositake Takane , Masayuki Yamamoto , Manfred Sigrist

We introduce a model for amorphous grain boundaries in graphene, and find that stable structures can exist along the boundary that are responsible for local density of states enhancements both at zero and finite (~0.5 eV) energies. Such…

Mesoscale and Nanoscale Physics · Physics 2011-08-02 Andrej Mesaros , Stefanos Papanikolaou , C. F. J. Flipse , Darius Sadri , Jan Zaanen

The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…

Mesoscale and Nanoscale Physics · Physics 2020-11-24 Kristiāns Čerņevičs , Oleg V. Yazyev , Michele Pizzochero

Electronic transport in a graphene-based ferromagnetic/normal/ferromagnetic junction is investigated by means of Landauer-B\"{u}ttiker formulism and the nonequilibrium Green's function technique. For the zigzag edge case, the results show…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Jiang-chai Chen , Shu-guang Cheng , Shun-Qing Shen , Qing-feng Sun

We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zig-zag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard one-orbital tight-binding…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 F. Muñoz-Rojas , D. Jacob , J. Fernández-Rossier , J. J. Palacios

While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…

Magic-angle twisted bilayer graphene is a tunable material with remarkably flat energy bands near the Fermi level, leading to fascinating transport properties and correlated states at low temperatures. However, grown pristine samples of…

Mesoscale and Nanoscale Physics · Physics 2024-03-29 Aleksander Sanjuan Ciepielewski , Jakub Tworzydło , Timo Hyart , Alexander Lau

We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless…

Mesoscale and Nanoscale Physics · Physics 2009-09-30 Katsunori Wakabayashi , Yositake Takane , Masayuki Yamamoto , Manfred Sigrist

We developed a unified mesoscopic transport model for graphene nanoribbons, which combines the non-equilibrium Green's function (NEGF) formalism with the real-space {\pi}-orbital model. Based on this model, we probe the spatial…

Mesoscale and Nanoscale Physics · Physics 2010-09-13 S. Bala Kumar , M. B. A. Jalil , S. G. Tan , Gengchiau Liang

Electronic transport properties of monolayer graphene with extreme physical bending up to 90o angle are studied using ab Initio first-principle calculations. The importance of key structural parameters including step height, curvature…

Quantum Physics · Physics 2011-01-31 Haiyuan Gao , Yang Xu , Meijiao Li , Zhendong Guo , Hongshen Chen , Zhonghe Jin , Bin Yu

New two diemensional structures nanoribbon including phosphorus and germanium atoms are introduced for the nanoelectronic applications. Under various bias voltages, the electronic transport in the systems have been studied within the…

Mesoscale and Nanoscale Physics · Physics 2018-01-09 Maryam Azizi , Badie Ghavami

We investigate electronic transport in gapped bilayer graphene (gBLG) devices. For certain edge terminations -typically a combination of zigzag, armchair, and bearded types - we observe edge state conduction within the band gap, which is…

Mesoscale and Nanoscale Physics · Physics 2025-11-27 Jesús Arturo Sánchez-Sánchez , Thomas Stegmann

We present electron transport measurements on lithographically defined and etched graphene nanoconstrictions with different aspect ratios including different lengths (L) and widths (W). A roughly length-independent disorder induced…

Mesoscale and Nanoscale Physics · Physics 2011-04-13 B. Terrés , J. Dauber , C. Volk , S. Trellenkamp , U. Wichmann , C. Stampfer

Graphene has attracted significant interest both for exploring fundamental science and for a wide range of technological applications. Chemical vapor deposition (CVD) is currently the only working approach to grow graphene at wafer scale,…